elements listlengths 1 9 | nsites int32 1 444 | chemical_formula_anonymous stringlengths 1 18 | chemical_formula_reduced stringlengths 1 23 | chemical_formula_descriptive stringlengths 2 34 | nelements int8 1 9 | dimension_types listlengths 3 3 | nperiodic_dimensions int8 3 3 | lattice_vectors listlengths 3 3 | immutable_id stringlengths 4 13 ⌀ | cartesian_site_positions listlengths 1 444 | species stringlengths 138 1.25k | species_at_sites listlengths 1 444 | last_modified stringlengths 19 19 | elements_ratios listlengths 1 9 | stress_tensor listlengths 0 3 | energy float64 -2,749.01 5.19k | magnetic_moments listlengths 0 444 | forces listlengths 0 444 | total_magnetization float64 -340.3 383 ⌀ | dos_ef float64 -14.23 392 ⌀ | functional stringclasses 1
value | cross_compatibility bool 1
class | entalpic_fingerprint stringlengths 37 62 ⌀ |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
[
"Hg",
"Pd",
"Tl"
] | 11 | A7B3C | Hg3Pd7Tl | Tl1 Hg3 Pd7 | 3 | [
1,
1,
1
] | 3 | [
[
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[
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] | agm003582790 | [
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1.... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Pd", "attached"... | [
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"Hg",
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"Pd",
"Pd",
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"Pd",
"Pd",
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] | 2023-11-16 06:57:59 | [
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... | 0 | 4.682276 | pbe | true | 0c24669df703b4904d59ccde65c111b2_12_Tl1Hg3Pd7 |
[
"Hg",
"Pd",
"Tl"
] | 18 | A5B3C | HgPd3Tl5 | Tl10 Hg2 Pd6 | 3 | [
1,
1,
1
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[
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[
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[
8.256670... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Pd", "attached"... | [
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"Tl",
"Hg",
"Hg",
"Pd",
"Pd",
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] | 2023-11-16 06:57:59 | [
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... | 0 | 6.858143 | pbe | true | 0e85d5a9decdda907327b2246aff37ac_12_Tl10Hg2Pd6 |
[
"Hg",
"Pd",
"Tm"
] | 5 | A2B2C | Hg2PdTm2 | Tm2 Hg2 Pd1 | 3 | [
1,
1,
1
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[
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] | agm005864111 | [
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] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "Pd", "attached"... | [
"Tm",
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[
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[
0,
0,
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]
] | -0 | 2.818315 | pbe | true | e70fe8668f121947720cf4d8cc582ec2_65_Tm2Hg2Pd1 |
[
"Hg",
"Pd",
"V"
] | 6 | A4BC | HgPd4V | V1 Hg1 Pd4 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
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[
0,
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] | agm005910131 | [
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] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "V", "attached":... | [
"V",
"Hg",
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"Pd",
"Pd",
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] | 2023-11-16 06:57:59 | [
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] | -30.957201 | [
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] | 0.953028 | 5.214902 | pbe | true | a8bb01490f65e6b56d6cba65a76172fa_123_V1Hg1Pd4 |
[
"Hg",
"Pd",
"Y"
] | 4 | A2BC | Hg2PdY | Y1 Hg2 Pd1 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
],
[
0,
4.31736276,
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[
0,
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] | agm001231319 | [
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[
0,
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] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Y", "attached":... | [
"Y",
"Hg",
"Hg",
"Pd"
] | 2023-11-16 06:57:59 | [
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[
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[
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0,
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] | -13.888922 | [
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[
0,
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[
0,
0,
0
]
] | -0.000001 | 2.299516 | pbe | true | 4fd2214a1582e92c1cfdc1e7f1a2c30c_123_Y1Hg2Pd1 |
[
"Hg",
"Pm",
"Pu"
] | 7 | A4B2C | Hg4PmPu2 | Pm1 Pu2 Hg4 | 3 | [
1,
1,
1
] | 3 | [
[
4.79265635,
0,
-1.52775741
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[
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[
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] | agm005993896 | [
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[
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... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Pu", "attached"... | [
"Pm",
"Pu",
"Pu",
"Hg",
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] | 2023-11-16 06:57:59 | [
0.5714285714285714,
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] | -35.609083 | [
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[
-0.... | 11.755027 | 15.932726 | pbe | true | bf20fb0f8fafa18cb7fd25e77354f5f9_139_Pm1Pu2Hg4 |
[
"Hg",
"Pm",
"Sc"
] | 6 | ABC | HgPmSc | Pm2 Sc2 Hg2 | 3 | [
1,
1,
1
] | 3 | [
[
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[
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] | agm001050121 | [
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... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Sc", "attached"... | [
"Sc",
"Sc",
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"Pm",
"Hg",
"Hg"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
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... | 0.004383 | 8.675192 | pbe | true | 3701e71b64aa888e35631ad2d636bd56_12_Pm2Sc2Hg2 |
[
"Hg",
"Pm",
"Tm"
] | 12 | A7B3C2 | Hg7Pm3Tm2 | Pm3 Tm2 Hg7 | 3 | [
1,
1,
1
] | 3 | [
[
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] | agm003351408 | [
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... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "Pm", "attached"... | [
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"Hg",
"Hg",
"Hg",
"Hg",
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] | 2023-11-16 06:57:59 | [
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-0.00502... | -0 | 7.641407 | pbe | true | 13b93297f6c8635041210c28d3e9498a_65_Pm3Tm2Hg7 |
[
"Hg",
"Pr",
"Se"
] | 22 | A6B4C | HgPr6Se4 | Pr12 Hg2 Se8 | 3 | [
1,
1,
1
] | 3 | [
[
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[
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] | agm006076807 | [
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[
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18.2168... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Pr", "attached"... | [
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"Se",
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] | 2023-11-16 06:57:59 | [
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] | -117.15671 | [
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[
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-0.00... | 1.116271 | 16.353607 | pbe | true | 7e9974736c6923485c0c82e7f9cd315b_63_Pr12Hg2Se8 |
[
"Hg",
"Pr",
"Tb"
] | 14 | A4B2C | Hg2PrTb4 | Tb8 Pr2 Hg4 | 3 | [
1,
1,
1
] | 3 | [
[
3.49690983,
0,
0.73402258
],
[
1.71400364,
8.88683584,
0.53113784
],
[
-1.07080977,
-2.09236376,
13.79809239
]
] | agm006031831 | [
[
0.6694680535483124,
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[
2.4818165580717677,
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[
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[
2.5058338263833773,
2.918934171817212,
5.455553635607678
],... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Pr", "attached"... | [
"Tb",
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"Tb",
"Tb",
"Tb",
"Tb",
"Tb",
"Pr",
"Pr",
"Hg",
"Hg",
"Hg",
"Hg"
] | 2023-11-16 06:57:59 | [
0.2857142857142857,
0.14285714285714285,
0.5714285714285714
] | [
[
1.4728386,
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[
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1.2762552,
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],
[
-0.00257212,
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]
] | -49.114806 | [
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0.001,
0,
0,
0.001,
0.004,
0.001,
0.02,
0.02,
0,
0,
0,
0
] | [
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[
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[
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[
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[
-0.00021249,
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0.0010123
],
[
-0.00011357,
-0.00000... | 0.094775 | 19.596975 | pbe | true | aeb1e1a2e366a00122b1e5481a2def12_12_Tb8Pr2Hg4 |
[
"Hg",
"Pt",
"Si"
] | 4 | A2BC | HgPtSi2 | Si2 Hg1 Pt1 | 3 | [
1,
1,
1
] | 3 | [
[
2.80428828,
0,
0
],
[
0,
3.52164598,
0
],
[
0,
0,
7.59840245
]
] | agm004003906 | [
[
1.40214414,
1.76082299,
1.8996006125
],
[
1.40214414,
1.76082299,
5.6988018375
],
[
0,
0,
7.100182647787901
],
[
0,
0,
4.297421027212099
]
] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Si", "attached"... | [
"Hg",
"Pt",
"Si",
"Si"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
0.4046841,
0,
0
],
[
0,
6.90532,
0
],
[
0,
0,
0.15515909
]
] | -16.813608 | [
0,
0,
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[
0,
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[
0,
0,
0
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[
0,
0,
0.0366114
],
[
0,
0,
-0.0366114
]
] | 0 | 1.484212 | pbe | true | 52bda5d8de7ea61d1b3ad02694464dc2_47_Si2Hg1Pt1 |
[
"Hg",
"Pt",
"Tc"
] | 4 | A2BC | Hg2PtTc | Tc1 Hg2 Pt1 | 3 | [
1,
1,
1
] | 3 | [
[
2.87982892,
0,
0
],
[
0,
2.91694576,
-0.24512214
],
[
0,
2.18408765,
8.68863146
]
] | agm004122716 | [
[
0,
2.7137534566668315,
8.36965468337923
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[
1.43991446,
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[
0,
2.3876417662574894,
4.508271589331687
],
[
1.43991446,
3.9884933772030116,
6.095400609460712
]
] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Pt", "attached"... | [
"Hg",
"Hg",
"Pt",
"Tc"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
6.566418,
0,
0
],
[
0,
6.581687,
0.02033329
],
[
0,
0.02033315,
6.5732975
]
] | -16.194783 | [
0,
0,
0,
0
] | [
[
0,
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[
0,
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],
[
0,
-0.00118205,
-0.02198675
],
[
0,
0.00472152,
0.01763736
]
] | 0.000001 | 2.971067 | pbe | true | 91b70e2714efe707375b5d649662f657_6_Tc1Hg2Pt1 |
[
"Hg",
"Pt",
"Zn"
] | 5 | A2B2C | HgPt2Zn2 | Zn2 Hg1 Pt2 | 3 | [
1,
1,
1
] | 3 | [
[
3.91350162,
0,
0
],
[
0,
3.91350162,
0
],
[
1.95675081,
1.95675081,
5.8913212
]
] | agm002951081 | [
[
1.956750790432492,
1.956750790432492,
1.248743470519476
],
[
3.913501639567508,
3.913501639567508,
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[
0,
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[
3.91350162,
1.95675081,
2.9456606
],
[
1.95675081,
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]
] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Zn", "attached"... | [
"Zn",
"Zn",
"Hg",
"Pt",
"Pt"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.4
] | [
[
8.569497,
0,
0
],
[
0,
8.569497,
0
],
[
0,
0,
1.5080352
]
] | -15.532131 | [
0,
0,
0,
0,
0
] | [
[
0,
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[
0,
0,
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 1.752575 | pbe | true | 127f47dc2f8dabbb4573c6fc72da9710_139_Zn2Hg1Pt2 |
[
"Hg",
"Pu",
"Sm"
] | 6 | A4BC | Hg4PuSm | Sm1 Pu1 Hg4 | 3 | [
1,
1,
1
] | 3 | [
[
6.00214706,
0,
0
],
[
3.00107353,
5.19801183,
0
],
[
3.00107353,
1.73267061,
4.90073255
]
] | agm001184946 | [
[
6.002150091084266,
3.465339504656096,
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[
6.002150091084266,
1.7312218028160362,
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[
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[
4.500360107788873,
4.332398355576126,
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],
[
... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}, {"mass": null, "name": "Sm", "attached"... | [
"Hg",
"Hg",
"Hg",
"Hg",
"Sm",
"Pu"
] | 2023-11-16 06:57:59 | [
0.6666666666666666,
0.16666666666666666,
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] | [
[
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0,
0
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[
0,
6.569849,
0
],
[
0,
0,
6.569849
]
] | -20.957291 | [
-0.004,
-0.004,
-0.004,
-0.004,
0.088,
5.529
] | [
[
0,
0,
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[
0,
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0.00163996
],
[
0.00401708,
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0.00163996
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[
-0.00401708,
0.00231926,
0.00163996
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 5.934296 | 14.723887 | pbe | true | 0359a89f5222763c55feac2d679816df_216_Sm1Pu1Hg4 |
[
"Hg",
"Pu",
"Zr"
] | 4 | A2BC | HgPuZr2 | Pu1 Zr2 Hg1 | 3 | [
1,
1,
1
] | 3 | [
[
3.29446239,
0,
0
],
[
0,
3.29446239,
0
],
[
0,
0,
8.45635473
]
] | agm001158825 | [
[
1.647231195,
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4.228177365
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[
0,
0,
6.258650880382969
],
[
0,
0,
2.1977038496170302
],
[
1.647231195,
1.647231195,
0
]
] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Pu", "attached"... | [
"Hg",
"Zr",
"Zr",
"Pu"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
6.017659,
0,
0
],
[
0,
6.017659,
0
],
[
0,
0,
5.989468
]
] | -31.868093 | [
-0.002,
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-0.024,
5.151
] | [
[
0,
0,
0
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[
0,
0,
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],
[
0,
0,
0.00184493
],
[
0,
0,
0
]
] | 5.345068 | 4.016089 | pbe | true | 22948a4a3f23f4147924f7cc4b65cae3_123_Pu1Zr2Hg1 |
[
"Hg",
"Rb",
"Rh"
] | 7 | A4B2C | Hg4Rb2Rh | Rb2 Hg4 Rh1 | 3 | [
1,
1,
1
] | 3 | [
[
5.39891092,
0,
0
],
[
0,
5.39891092,
0
],
[
2.69945546,
2.69945546,
8.92936002
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] | agm001082023 | [
[
0,
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[
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[
5.39891092,
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[
0,
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[
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[
2.699455433005445,
2.699455433005445,
2.543724022562239
],
[
5.3... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Rh", "attached"... | [
"Rh",
"Hg",
"Hg",
"Hg",
"Hg",
"Rb",
"Rb"
] | 2023-11-16 06:57:59 | [
0.5714285714285714,
0.2857142857142857,
0.14285714285714285
] | [
[
3.5083876,
0,
0
],
[
0,
3.5083876,
0
],
[
0,
0,
3.5993454
]
] | -11.705637 | [
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
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[
0,
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0.00362254
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[
0,
0,
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
-0.00691387
],
[
0,
0,
0.00691387
]
] | 0 | 2.051348 | pbe | true | 3e10adc60ada112059797af700cea624_139_Rb2Hg4Rh1 |
[
"Hg",
"Rb",
"Sn"
] | 12 | A4BC | Hg4RbSn | Rb2 Sn2 Hg8 | 3 | [
1,
1,
1
] | 3 | [
[
5.24733994,
0,
-1.38836633
],
[
0,
7.05118888,
0
],
[
0.16695832,
0,
11.24136537
]
] | agm005731260 | [
[
2.2026363808963847,
5.28839166,
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[
3.2116618791036156,
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[
0.5874645953211034,
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],
[
4.8268336646788965,
1.76279722,
7.632675952135943
],
[
1.213668408492408,
3.... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Rb", "attached"... | [
"Rb",
"Rb",
"Sn",
"Sn",
"Hg",
"Hg",
"Hg",
"Hg",
"Hg",
"Hg",
"Hg",
"Hg"
] | 2023-11-16 06:57:59 | [
0.6666666666666666,
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] | [
[
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0,
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[
0,
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0
],
[
0.03708333,
0,
4.0902185
]
] | -13.617316 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
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[
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[
0.00075756,
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[
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[
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0.00313848
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[
-0.00083039,
0.00340581,
-0.00313848
],
[
0.0... | -0 | 5.515591 | pbe | true | 874e295e7dd43e9d350bc54b907b1046_63_Rb2Sn2Hg8 |
[
"Hg",
"Re",
"Y"
] | 4 | A2BC | HgReY2 | Y2 Re1 Hg1 | 3 | [
1,
1,
1
] | 3 | [
[
5.00769897,
0,
0
],
[
0,
3.62386771,
-0.00319545
],
[
0,
0.00362791,
5.0082301
]
] | agm003867847 | [
[
0,
2.2666231783657347,
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[
2.503849485,
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4.378717786938589
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[
0,
0.45608109073007164,
4.382496115100808
],
[
2.503849485,
0.45430170363224953,
1.877225184456483
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] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Y", "attached":... | [
"Hg",
"Re",
"Y",
"Y"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
5.4269357,
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-0.00012214
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[
-0.00008033,
5.1806893,
0.06487975
],
[
-0.00012217,
0.06487965,
5.3093762
]
] | -25.595796 | [
0,
0,
0,
0
] | [
[
-0.00017152,
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-0.00159714
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[
0.00051559,
0.00153621,
0.00236471
],
[
-0.00019488,
0.00043826,
-0.00162236
],
[
-0.00014919,
0.00030694,
0.00085479
]
] | -0.000015 | 5.027721 | pbe | true | 0e6fffaea5e8eb6694d1b9074a04811e_123_Y2Re1Hg1 |
[
"Hg",
"Rh",
"Sb"
] | 6 | A4BC | Hg4RhSb | Hg4 Sb1 Rh1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
4.06936075,
4.06936075
],
[
4.06936075,
0,
4.06936075
],
[
4.06936075,
4.06936075,
0
]
] | agm005451410 | [
[
3.056175623987395,
5.082545916706213,
5.082545916706213
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[
5.082545916706213,
5.082545916706213,
3.056175623987395
],
[
5.082545916706213,
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],
[
3.056175623987395,
3.056175623987395,
3.056175623987395
],
[
0,... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Rh", "attached"... | [
"Hg",
"Hg",
"Hg",
"Hg",
"Sb",
"Rh"
] | 2023-11-16 06:57:59 | [
0.6666666666666666,
0.16666666666666666,
0.16666666666666666
] | [
[
6.6653247,
0,
0
],
[
0,
6.6653247,
0
],
[
0,
0,
6.6653247
]
] | -9.827834 | [
0,
0,
0,
0,
0,
0
] | [
[
-0.00087994,
0.00087994,
0.00087994
],
[
0.00087994,
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[
0.00087994,
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[
-0.00087994,
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-0.00087994
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000002 | 1.213431 | pbe | true | ba6c78be0aa742636b0b8f4d43c702e2_216_Hg4Sb1Rh1 |
[
"Hg",
"Rh",
"Sr"
] | 4 | A2BC | HgRhSr2 | Sr2 Hg1 Rh1 | 3 | [
1,
1,
1
] | 3 | [
[
3.73557731,
0,
0
],
[
0,
3.73557731,
0
],
[
0,
0,
7.96043654
]
] | agm003179600 | [
[
0,
0,
7.728493698555846
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[
0,
0,
4.2121611114441535
],
[
1.867788655,
1.867788655,
5.970327405
],
[
1.867788655,
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1.990109135
]
] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Sr", "attached"... | [
"Sr",
"Sr",
"Rh",
"Hg"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
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0
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[
0,
3.9667778,
0
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[
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3.7144628
]
] | -12.267237 | [
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[
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[
0,
0,
0
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[
0,
0,
0
]
] | -0.000005 | 3.031766 | pbe | true | 70f0bd5afdd7bd757842658cc8029f3a_123_Sr2Hg1Rh1 |
[
"Hg",
"Ru",
"Tb"
] | 19 | A12B6C | HgRu6Tb12 | Tb12 Hg1 Ru6 | 3 | [
1,
1,
1
] | 3 | [
[
8.04763085,
0,
-2.84526655
],
[
-4.02381492,
6.96945191,
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[
0,
0,
8.53580063
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] | agm006128115 | [
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[
2.044824667142587,
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... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Ru", "attached"... | [
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"Hg",
"Ru",
"Ru",
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"Ru",
"Ru"
] | 2023-11-16 06:57:59 | [
0.05263157894736842,
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0.631578947368421
] | [
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1e-7
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[
1e-7,
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] | -116.886541 | [
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[
0.00143316,
0.0001003... | -0.000012 | 18.833916 | pbe | true | 3438ed582709be22cbd80a48e6112739_204_Tb12Hg1Ru6 |
[
"Hg",
"S",
"Si"
] | 8 | A2BC | HgSSi2 | Si4 Hg2 S2 | 3 | [
1,
1,
1
] | 3 | [
[
5.7165255,
0,
0
],
[
0,
5.7165255,
0
],
[
2.85826275,
2.85826275,
5.69836668
]
] | agm002890719 | [
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0
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[
2.85826275,
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[
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[
... | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Si", "attached": ... | [
"S",
"S",
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"Si",
"Si",
"Si",
"Hg",
"Hg"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
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[
1.6687438,
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[
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[
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] | -27.682303 | [
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[
0,
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0
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[
0,
0,
0
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[
0,
0,
0
]
] | 0 | 0.233834 | pbe | true | df08ccd89d920b307c76602a5f96da6c_122_Si4Hg2S2 |
[
"Hg",
"S",
"Ta"
] | 4 | A2BC | HgS2Ta | Ta1 Hg1 S2 | 3 | [
1,
1,
1
] | 3 | [
[
9.42633135,
0,
2.75766207
],
[
1.41155941,
1.68705948,
-2.55578736
],
[
-1.41155941,
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2.55578736
]
] | agm003138993 | [
[
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[
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[
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[
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] | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Hg", "attached": ... | [
"S",
"S",
"Hg",
"Ta"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
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[
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[
0,
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],
[
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0,
1.7578498
]
] | -23.461651 | [
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] | [
[
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[
0.00016578,
0,
0.00550107
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[
0,
0,
0
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[
0,
0,
0
]
] | 0 | 2.388881 | pbe | true | de966eb150366ca4880c4a1e9349d3b2_12_Ta1Hg1S2 |
[
"Hg",
"Sb",
"Sc"
] | 4 | A2BC | HgSbSc2 | Sc2 Hg1 Sb1 | 3 | [
1,
1,
1
] | 3 | [
[
5.31219815,
-0.01274769,
0
],
[
1.26280908,
5.15993459,
0
],
[
-3.28750381,
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3.28459227
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] | agm004073980 | [
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0.6314044425000003,
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[
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[
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[
3.2875036150000003,
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0
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] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Sc", "attached"... | [
"Hg",
"Sb",
"Sc",
"Sc"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
3.572787,
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-2.1e-7
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[
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3.6016698,
-1.7e-7
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[
-2.1e-7,
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3.6473885
]
] | -19.21415 | [
0.01,
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0.387,
0.387
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 1.132253 | 2.762128 | pbe | true | 7b08a2ae049a8ffcd47ed197b781aa39_139_Sc2Hg1Sb1 |
[
"Hg",
"Sb",
"Te"
] | 10 | A2B2C | Hg2SbTe2 | Hg4 Sb2 Te4 | 3 | [
1,
1,
1
] | 3 | [
[
8.72628248,
0,
0
],
[
0,
8.72628248,
0
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[
0,
0,
4.30833272
]
] | agm003012814 | [
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0
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[
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[
2.0275422225800965,
2.335599017419903,
0
... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Te", "attached"... | [
"Sb",
"Sb",
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"Te",
"Te",
"Te",
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"Hg",
"Hg",
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] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.4
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[
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0
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[
0,
2.1452277,
0
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[
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] | -21.19146 | [
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0,
0,
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0,
0
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[
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[
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[
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[
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[
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[
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0.0117423,
0
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[
-0.01212373,
-0.01212373,
0
],
[
-0.01212373,
0.... | 0 | 2.518533 | pbe | true | 5344cc55d1770594f350d1ffc69d1eb4_127_Hg4Sb2Te4 |
[
"Hg",
"Se",
"Tl"
] | 4 | A2BC | HgSeTl2 | Tl2 Hg1 Se1 | 3 | [
1,
1,
1
] | 3 | [
[
4.46883627,
0,
0
],
[
2.23441813,
3.87012573,
0
],
[
2.23441814,
1.29004191,
8.12196185
]
] | agm005111369 | [
[
2.2344181609743257,
1.290041922900419,
6.453074692738289
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[
2.2344181123555606,
1.290041897099581,
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4.072882766675372
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[
6.703252194586384,
3.8701244528585086,
8.114250940639227
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] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Se", "attached"... | [
"Tl",
"Tl",
"Hg",
"Se"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
3.219035,
0,
0
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[
0,
3.219035,
0
],
[
0,
0,
2.8612392
]
] | -9.602943 | [
0,
0,
0,
0
] | [
[
0,
0,
0.00727083
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[
0,
0,
-0.00351847
],
[
0,
0,
-0.00376761
],
[
0,
0,
0.00001525
]
] | 0 | 0.057934 | pbe | true | 939cbaa69daa83f80601d61df104c36e_160_Tl2Hg1Se1 |
[
"Hg",
"Se",
"Zn"
] | 5 | A3BC | HgSe3Zn | Zn1 Hg1 Se3 | 3 | [
1,
1,
1
] | 3 | [
[
5.26519416,
0,
0
],
[
0,
5.26519416,
0
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[
0,
0,
5.26519416
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] | agm002628364 | [
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[
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[
0,
2.63259708,
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[
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[
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] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Zn", "attached"... | [
"Zn",
"Hg",
"Se",
"Se",
"Se"
] | 2023-11-16 06:57:59 | [
0.2,
0.6,
0.2
] | [
[
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0,
0
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[
0,
2.2194867,
0
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[
0,
0,
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] | -8.199105 | [
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[
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 0 | 5.888549 | pbe | true | 5d7e9a7a1a7b34a44613d64d046a1799_221_Zn1Hg1Se3 |
[
"Hg",
"Si",
"Tl"
] | 4 | A2BC | HgSiTl2 | Tl2 Si1 Hg1 | 3 | [
1,
1,
1
] | 3 | [
[
3.46622631,
0,
0
],
[
0,
3.66086156,
0
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[
0,
0,
8.19762377
]
] | agm004263245 | [
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0,
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[
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[
0,
0,
7.865065028185771
],
[
1.733113155,
1.83043078,
2.278000780138335
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] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Si", "attached"... | [
"Hg",
"Si",
"Tl",
"Tl"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
5.2142134,
0,
0
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[
0,
5.443906,
0
],
[
0,
0,
5.2022457
]
] | -9.263625 | [
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] | [
[
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[
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0,
0.00488843
],
[
0,
0,
-0.00687408
],
[
0,
0,
-0.00771305
]
] | 0 | 1.356359 | pbe | true | 2235a512b7b8941fee159855291b169d_25_Tl2Si1Hg1 |
[
"Hg",
"Sn",
"Tl"
] | 20 | A6B3C | HgSn6Tl3 | Tl6 Sn12 Hg2 | 3 | [
1,
1,
1
] | 3 | [
[
8.52651319,
-0.02759823,
-1.06953702
],
[
-1.20867007,
8.44045492,
-1.06953715
],
[
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-0.02759806,
8.59329624
]
] | agm006028882 | [
[
1.2280694659323097,
6.316398084743268,
1.0681292773731028
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[
1.8007089590040504,
2.0913548444330985,
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[
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5.365259175834298
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[
6.087887817128888,
2.0730972136193837,
1.088962894165703
],
[
... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Sn", "attached"... | [
"Tl",
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"Sn",
"Sn",
"Sn",
"Sn",
"Sn",
"Sn",
"Sn",
"Sn",
"Sn",
"Sn",
"Hg",
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] | 2023-11-16 06:57:59 | [
0.1,
0.6,
0.3
] | [
[
4.2384276,
0.18061353,
0.1390199
],
[
0.18061382,
4.2889614,
0.15982242
],
[
0.13901952,
0.15982275,
4.204339
]
] | -61.824235 | [
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0,
0,
0,
0,
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0,
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0
] | [
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[
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[
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[
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[
-0.0046598,
0.00345698,
-0.0001997
],
[
0.00352967,
-0.00027892... | -0 | 7.134489 | pbe | true | 35a561177817962cd5b048a2eb27f923_167_Tl6Sn12Hg2 |
[
"Hg",
"Sr",
"Zn"
] | 11 | A8B2C | Hg2Sr8Zn | Sr8 Zn1 Hg2 | 3 | [
1,
1,
1
] | 3 | [
[
6.82203475,
0.03006364,
-1.17160263
],
[
-2.2561711,
7.97757968,
-3.25031305
],
[
-0.13352149,
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8.9037763
]
] | agm005948530 | [
[
3.1756245545088637,
2.734307514918975,
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],
[
3.728288411254978,
0.6468830594761259,
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[
0.3121245936944279,
2.8729762440842626,
1.8406134800220726
],
[
6.118494632959372,
1.6939618383984287,
5.185311113211128
],
... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "Zn", "attached"... | [
"Sr",
"Sr",
"Sr",
"Sr",
"Sr",
"Sr",
"Sr",
"Sr",
"Zn",
"Hg",
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] | 2023-11-16 06:57:59 | [
0.18181818181818182,
0.7272727272727273,
0.09090909090909091
] | [
[
0.95436794,
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[
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[
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0.9573196
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] | -17.323424 | [
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0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0.00148315,
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[
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[
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[
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[
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[
0.0000296,
0.00115899,
... | -0.000003 | 11.280294 | pbe | true | aee8cc84f81f4c8469855b53d73fddb1_8_Sr8Zn1Hg2 |
[
"Hg",
"Tc",
"Te"
] | 4 | A2BC | HgTcTe2 | Tc1 Hg1 Te2 | 3 | [
1,
1,
1
] | 3 | [
[
10.99152644,
0.04369521,
0.02563437
],
[
10.48550189,
3.29693992,
0.02563437
],
[
10.48550189,
1.63096288,
2.8653848
]
] | agm003839132 | [
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15.438878231932918,
2.4014336714332254,
1.4088327344191116
],
[
23.891013286025267,
3.7161173815758937,
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[
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0.0757134967444662
],
[
7.7841875311849265,
1.2107881001013503,
0.7103248072847462
]
... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Te", "attached"... | [
"Hg",
"Tc",
"Te",
"Te"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
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],
[
-0.00957307,
2.3790643,
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],
[
-0.00561617,
-0.00087356,
2.380041
]
] | -16.100714 | [
-0.001,
0.25,
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0
] | [
[
-0.00475131,
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[
0.00124596,
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],
[
0.004519,
0.00070291,
0.00041237
],
[
-0.00101365,
-0.00015767,
-0.0000925
]
] | 0.250546 | 1.750427 | pbe | true | 58d1d1d5dc8386636e42016ecca55eb6_160_Tc1Hg1Te2 |
[
"Hg",
"Tc",
"Y"
] | 4 | A2BC | HgTc2Y | Y1 Tc2 Hg1 | 3 | [
1,
1,
1
] | 3 | [
[
2.92097938,
0.01128869,
0
],
[
-0.95138845,
2.76172193,
0
],
[
0,
0,
9.26297631
]
] | agm003870779 | [
[
0.9847954649999999,
1.3865053100000002,
6.947232232500001
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[
0,
0,
9.237189017620828
],
[
0,
0,
4.657275447379172
],
[
0.9847954649999999,
1.3865053100000002,
2.3157440775
]
] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Y", "attached":... | [
"Hg",
"Tc",
"Tc",
"Y"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
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0
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[
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5.5038395,
0
],
[
0,
0,
5.2389936
]
] | -25.073934 | [
0,
0,
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0
] | [
[
0,
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[
0,
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-0.00234651
],
[
0,
0,
0.00234651
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[
0,
0,
0
]
] | 0.000008 | 4.496429 | pbe | true | a3211f14fa10211af9c272b989e280d0_65_Y1Tc2Hg1 |
[
"Hg",
"Te",
"Tl"
] | 4 | A2BC | HgTe2Tl | Tl1 Hg1 Te2 | 3 | [
1,
1,
1
] | 3 | [
[
6.16595283,
0,
0
],
[
0,
3.2221767,
-0.04696713
],
[
0,
2.2291345,
6.21424478
]
] | agm003778987 | [
[
3.082976415,
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4.625458237499999
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[
0,
0.052725297742275,
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[
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2.6729303022577247,
3.0830745562753235
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[
3.082976415,
1.3628277999999998,
1.5418194125
]
] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Te", "attached"... | [
"Hg",
"Te",
"Te",
"Tl"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
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0,
0
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[
0,
2.186965,
0.1772181
],
[
0,
0.17721803,
2.4834514
]
] | -9.06796 | [
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[
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0.00091607,
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],
[
0,
-0.00091607,
0.00331208
],
[
0,
0,
0
]
] | 0 | 1.16166 | pbe | true | 4b7310a1f854c49fb881da619c5beec5_10_Tl1Hg1Te2 |
[
"Hg",
"Tl",
"Tm"
] | 4 | A2BC | Hg2TlTm | Tm1 Tl1 Hg2 | 3 | [
1,
1,
1
] | 3 | [
[
4.23920488,
0,
0
],
[
0,
4.84901262,
0
],
[
0,
0,
4.84901262
]
] | agm001229558 | [
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0
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[
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2.42450631
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[
0,
0,
2.42450631
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[
0,
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] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Tm", "attached"... | [
"Tl",
"Tm",
"Hg",
"Hg"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
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0,
0
],
[
0,
4.16555,
0
],
[
0,
0,
4.16555
]
] | -8.415355 | [
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] | [
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | -0 | 2.916602 | pbe | true | 6fe7ead730b3b56831ad64181ce3467c_123_Tm1Tl1Hg2 |
[
"Ho",
"I",
"Nd"
] | 4 | A2BC | Ho2INd | Nd1 Ho2 I1 | 3 | [
1,
1,
1
] | 3 | [
[
3.74404221,
0,
0
],
[
1.87202111,
3.24243567,
0
],
[
1.87202111,
1.08081189,
10.52266021
]
] | agm001983018 | [
[
0,
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0
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[
3.7440422150000003,
2.16162378,
5.261330105
],
[
5.616061431811111,
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8.057501765652404
],
[
1.8720229981888892,
1.080812981620009,
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]
] | [{"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "I", "attached":... | [
"I",
"Nd",
"Ho",
"Ho"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
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0,
0
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[
0,
1.0752398,
0
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[
0,
0,
0.6470295
]
] | -16.868683 | [
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[
0,
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0
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[
0,
0,
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],
[
0,
0,
0.00255373
]
] | 0.000029 | 2.972637 | pbe | true | 971e3ab09c8a4b4bc62c0de94c77d6b2_166_Nd1Ho2I1 |
[
"Ho",
"In",
"Ir"
] | 4 | A2BC | Ho2InIr | Ho2 In1 Ir1 | 3 | [
1,
1,
1
] | 3 | [
[
5.05292018,
0,
0
],
[
2.52646009,
4.37595724,
0
],
[
2.52646009,
1.45865241,
4.12569205
]
] | agm001091836 | [
[
5.05292018,
2.917304825,
2.062846025
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[
2.52646009,
1.4586524125,
1.0314230125
],
[
7.579380270000001,
4.3759572375,
3.0942690374999997
],
[
0,
0,
0
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] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Ir", "attached"... | [
"Ir",
"Ho",
"Ho",
"In"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
2.8761172,
0,
0
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[
0,
2.8761172,
0
],
[
0,
0,
2.8761172
]
] | -23.029879 | [
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] | [
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | -0.000003 | 2.335774 | pbe | true | b88e27d3b1f0d3546c3fda577b6450df_225_Ho2In1Ir1 |
[
"Ho",
"In",
"Pd"
] | 7 | A3B2C2 | Ho2In2Pd3 | Ho2 In2 Pd3 | 3 | [
1,
1,
1
] | 3 | [
[
4.7312037,
-0.00659433,
-1.32785888
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[
-2.5481558,
4.19064026,
0.02275
],
[
-0.39406842,
-0.19227004,
7.76646216
]
] | agm005559021 | [
[
2.6080490096509426,
1.5700287927337484,
0.20465776426527932
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[
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2.66013987819735
],
[
1.0465127675980879,
3.5435050348097015,
3.8012134018026495
],
... | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Pd", "attached"... | [
"Ho",
"Ho",
"In",
"In",
"Pd",
"Pd",
"Pd"
] | 2023-11-16 06:57:59 | [
0.2857142857142857,
0.2857142857142857,
0.42857142857142855
] | [
[
4.18242,
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[
0.0253659,
4.1834106,
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[
-0.11828704,
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4.28537
]
] | -35.363311 | [
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[
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[
0,
0,
0
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[
-0.00008638,
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[
... | 0 | 2.427398 | pbe | true | b97e479da8797485b20c78f64bdb5cd3_2_Ho2In2Pd3 |
[
"Ho",
"In",
"Pm"
] | 19 | A12B6C | Ho6InPm12 | Pm12 Ho6 In1 | 3 | [
1,
1,
1
] | 3 | [
[
8.64121335,
-0.35135882,
-0.86554543
],
[
-0.92089989,
8.59918335,
-0.86554548
],
[
-0.32888744,
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8.67822339
]
] | agm006126108 | [
[
4.655280486018447,
1.0695246439361756,
4.371402483660732
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[
0.7602178793174638,
4.711681948892681,
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[
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4.715717768725695,
0.48784919192712606
],
[
2.736145533981553,
6.8269410160638255,
2.575729996339268
],
[
... | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Pm", "attached"... | [
"Pm",
"Pm",
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"Pm",
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"Pm",
"Pm",
"Pm",
"Pm",
"Pm",
"Ho",
"Ho",
"Ho",
"Ho",
"Ho",
"Ho",
"In"
] | 2023-11-16 06:57:59 | [
0.3157894736842105,
0.05263157894736842,
0.631578947368421
] | [
[
0.6633543,
0.03776433,
0.03322416
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[
0.03776435,
0.66834986,
0.03549432
],
[
0.03322414,
0.03549434,
0.6592323
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] | -85.603256 | [
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0,
0,
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] | [
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[
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[
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[
0.00049897,
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0.00437614
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[
-0.00121064,
0.004... | 0 | 27.670889 | pbe | true | a02a83dc5290093516ad149b278899a8_166_Pm12Ho6In1 |
[
"Ho",
"In",
"Pr"
] | 12 | A9B2C | Ho9InPr2 | Pr2 Ho9 In1 | 3 | [
1,
1,
1
] | 3 | [
[
4.95734823,
0,
0
],
[
0,
4.95734823,
0
],
[
0,
0,
15.08773135
]
] | agm005896264 | [
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0,
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[
0,
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10.07201075056811
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[
2.478674115,
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0
],
[
2.478674115,
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[
2.478674115,
2.478674115,
10.16820288354466
],
[
2.478674115,
0,
2.40199097129016
... | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Pr", "attached"... | [
"Pr",
"Pr",
"Ho",
"Ho",
"Ho",
"Ho",
"Ho",
"Ho",
"Ho",
"Ho",
"Ho",
"In"
] | 2023-11-16 06:57:59 | [
0.75,
0.08333333333333333,
0.16666666666666666
] | [
[
0.774095,
0,
0
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[
0,
0.774095,
0
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[
0,
0,
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] | -54.177869 | [
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0.025,
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0.007,
0.002,
0.007,
0.007,
0.002,
0.007,
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] | [
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[
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[
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[
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[
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[
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[
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0,
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[
0,
0,
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[
0,
0,
0.00630... | 0.067057 | 15.409916 | pbe | true | 1cf9a51af37141c9dde41fb111589b8c_123_Pr2Ho9In1 |
[
"Ho",
"In",
"Ru"
] | 10 | A3BC | Ho3InRu | Ho6 In2 Ru2 | 3 | [
1,
1,
1
] | 3 | [
[
5.66762967,
0.16048214,
-1.19205184
],
[
-2.54144199,
5.06845863,
-1.19185723
],
[
-0.05010205,
-0.08430759,
8.72578097
]
] | agm005800596 | [
[
-0.33731660416144343,
4.095471067264005,
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],
[
3.4134022341614436,
1.0491621127359956,
6.777499788193912
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[
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0.9933215127857153,
2.0760523153872055
],
[
3.1544235956863846,
4.151311667214285,
4.265819584612795
... | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Ru", "attached"... | [
"Ho",
"Ho",
"Ho",
"Ho",
"Ho",
"Ho",
"In",
"In",
"Ru",
"Ru"
] | 2023-11-16 06:57:59 | [
0.6,
0.2,
0.2
] | [
[
2.3832471,
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[
-0.00180715,
2.3812864,
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[
-0.04259889,
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2.200486
]
] | -55.663577 | [
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0,
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0,
0,
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0,
0,
0
] | [
[
-0.00020628,
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[
0.00020628,
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0.00102716
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[
0.00063028,
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0.00233609
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[
-0.00063028,
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[
0.00030802,
0.00088089,
0.0023361
],
[
-0.00030802,
-0.00088... | 0 | 5.770237 | pbe | true | 49b793dcc98f5917a6dbd410a9665f27_69_Ho6In2Ru2 |
[
"Ho",
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[
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1,
1
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... | 0.00907 | 12.549286 | pbe | true | b19c37443ca512aaf7f206f192f52d3a_12_Ho8In2Sb1 |
[
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1,
1,
1
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[
"Ho",
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1,
1,
1
] | 3 | [
[
5.24708423,
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[
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[
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... | 0.000104 | 17.557516 | pbe | true | 40db4d31d2ed8d10982b51b16d650b0d_12_Ho1Sc8In2 |
[
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1,
1,
1
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] | 0.480262 | 5.336072 | pbe | true | a08ab7fd6cdee1b63978a5a8c91cccae_160_Sm2Ho1In1 |
[
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1,
1,
1
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2.68892744591... | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "In", "attached"... | [
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0... | 0.003806 | 20.623854 | pbe | true | a2e7963eb67f5aaa00f46ce3fd17a001_193_Tb2Ho10In6 |
[
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1,
1,
1
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[
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0,
0
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[
0,
3.85547642,
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] | -0.000001 | 1.532314 | pbe | true | e757e12b816e6a6eecff4f698c0a406d_123_Ho1In1Te2 |
[
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1,
1,
1
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[
1.335280345,... | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Tm", "attached"... | [
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[
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[
"Ho",
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] | 20 | A12B7C | Ho7InY12 | Y12 Ho7 In1 | 3 | [
1,
1,
1
] | 3 | [
[
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[
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[
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[
... | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Y", "attached":... | [
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[
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[
"Ho",
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] | 4 | A2BC | HoInZn2 | Ho1 Zn2 In1 | 3 | [
1,
1,
1
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[
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[
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1,
1,
1
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[
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1
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[
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1,
1
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[
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1,
1,
1
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0.00275... | -0.00056 | 17.306282 | pbe | true | 61020ae5885f4595f079ebdeca5b373f_189_La5Nd3Ho3 |
[
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1,
1,
1
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... | -0.000001 | 16.234276 | pbe | true | ca0230dd8ab432d448840d2f74762b15_12_La5Nd2Ho4 |
[
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1,
1,
1
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0.0010... | -0.000004 | 43.00935 | pbe | true | f2402ebe034bd9e9cf6accd485778e6f_125_La4Nd24Ho2 |
[
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1,
1,
1
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] | -0.000055 | 0.894691 | pbe | true | 3b737161bbc4b6379edef5435a61d4c7_160_La1Ho1S2 |
[
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1,
1,
1
] | 3 | [
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[
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3.5753... | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Sm", "attached"... | [
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[
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1,
1,
1
] | 3 | [
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[
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[
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[
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[
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[
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1,
1,
1
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[
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1,
1,
1
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[
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1,
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[
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3.638... | [{"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Pm", "attached"... | [
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[
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[
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1,
1,
1
] | 3 | [
[
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[
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[
"Ho",
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1,
1,
1
] | 3 | [
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... | [{"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Pu", "attached"... | [
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... | 5.894227 | 21.13276 | pbe | true | d14536f0a54b05888c9055b051d2f2ac_12_Nd7Ho4Pu1 |
[
"Ho",
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1,
1,
1
] | 3 | [
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[
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1,
1,
1
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0.00273... | 0.000011 | 32.730656 | pbe | true | 02b0cb01c4f29b1589bb869dcef63ae1_148_Nd12Ho6Sc1 |
[
"Ho",
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1,
1,
1
] | 3 | [
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[
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... | 0.000856 | 18.555084 | pbe | true | 4952562533871f1b46a044bf5956f2ba_189_Nd3Sm5Ho3 |
[
"Ho",
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1,
1,
1
] | 3 | [
[
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6e-8,
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[
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6.6625... | [{"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Sm", "attached"... | [
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[
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-0.00... | 0.000033 | 21.188984 | pbe | true | 4091559393612df5adafc96b2e37803c_72_Nd6Sm4Ho2 |
[
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1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
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2.35654103... | [{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Nd", "attached"... | [
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] | 0.00001 | 3.727165 | pbe | true | fc9ca58babb6f00d302f6e12a6d601f0_123_Nd1Ho1Sn6 |
[
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1,
1,
1
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[
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9.77448452000000... | [{"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Te", "attached"... | [
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[
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0.0... | -0 | 5.142722 | pbe | true | 35c3834f5c55967b8785c6235bc84808_12_Nd2Ho3Te6 |
[
"Ho",
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1,
1,
1
] | 3 | [
[
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... | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Nd", "attached"... | [
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[
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0.0007... | 0.000011 | 18.005898 | pbe | true | 1d054c7ee53510cf73fbfa81d9f1c3ea_2_Nd8Ho2Tl1 |
[
"Ho",
"Nd",
"Tl"
] | 16 | A5B2C | HoNd5Tl2 | Nd10 Ho2 Tl4 | 3 | [
1,
1,
1
] | 3 | [
[
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0
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[
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[
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[
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1,
1,
1
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0.003... | 0.000009 | 19.165098 | pbe | true | 66457b4521397aa78cd529e095dc9dd5_12_Nd6Ho4Tm2 |
[
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[
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1
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3.928... | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Ni", "attached"... | [
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[
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1
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0... | 0.000074 | 15.039118 | pbe | true | ba27193dcba70b2f988d2b248dbf467b_15_Ho10Tl2Ni2 |
[
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1,
1,
1
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0.000366... | 0 | 0.700066 | pbe | true | 0567ba2282f4372d263346fdf8f16b67_2_Ho2Pd2O7 |
[
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1,
1
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[
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... | 0 | 3.268352 | pbe | true | 3b6d875a0ffc186f18dcff6083b18806_65_Y3Ho1O6 |
[
"Ho",
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1,
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1
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[
0,
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] | -0.000007 | 2.813442 | pbe | true | d9809855a7b1d07cc03a738845959c91_123_Ho1Pd2Pb1 |
[
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1,
1
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[
4.74... | [{"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Pb", "attached"... | [
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[
-0.0002... | 0.002947 | 15.684196 | pbe | true | 96c85c425dfbd3c9e89c65f7bc6a4eaf_12_Pr6Ho2Pb6 |
[
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1
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[
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[
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1.744... | [{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Rh", "attached"... | [
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[
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1,
1
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[
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1
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... | 0.000002 | 29.60608 | pbe | true | f017b1c7e84a92199bdc897a18bd2543_2_Pm5Ho12Tm2 |
[
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[
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1,
1,
1
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... | -0.000007 | 19.401234 | pbe | true | 8cc136d7967358b6833bfc0f287943c5_55_Pm2Y4Ho10 |
[
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1,
1,
1
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[
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1
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... | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Pr", "attached"... | [
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